1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)-
Names
[ CAS No. ]:
2850-40-0
[ Name ]:
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)-
[Synonym ]:
8-isopropyl-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione
1,3-dimethyl-8-isopropylxanthine
8-isopropyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
8-isopropyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-Isopropyl theophylline
1,3-Dimethyl-8-isopropyl-xanthin
Theophylline,8-isopropyl
8-Isopropyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
Xanthine,1,3-dimethyl-8-isopropyl
Chemical & Physical Properties
[ Density]:
1.284g/cm3
[ Boiling Point ]:
447.6ºC at 760 mmHg
[ Molecular Formula ]:
C10H14N4O2
[ Molecular Weight ]:
222.24400
[ Flash Point ]:
224.5ºC
[ Exact Mass ]:
222.11200
[ PSA ]:
72.68000
[ LogP ]:
0.08370
[ Vapour Pressure ]:
3.33E-08mmHg at 25°C
[ Index of Refraction ]:
1.577
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5920000
- CHEMICAL NAME :
- Theophylline, 8-isopropyl-
- CAS REGISTRY NUMBER :
- 2850-40-0
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H14-N4-O2
- MOLECULAR WEIGHT :
- 222.28
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ CY1&1 F1 H1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971
Safety Information
[ HS Code ]:
2933990090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933990090
[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%